SCHEMBL1970072

SCHEMBL1970072

Cc1cccc(-c2ncncc2C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.50
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
HCRTR1 O43613 3/20 0.46
HCRTR2 O43614 3/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
LDHA P00338 1/20 0.43
PIN1 Q13526 1/20 0.43
DHODH Q02127 7/20 0.42
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42
MAPK14 Q16539 1/20 0.42
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1968241 0.82 LDHA (0.44) MEN1KMT2ALDHACYP1A2CYP3A4
SCHEMBL1967237 0.82 KMO (0.50) KMOJAK2JAK3PIN1DHODH
SCHEMBL1970118 0.82 KMO (0.50) KMOMEN1KMT2AJAK2JAK3
SCHEMBL1970226 0.82 LMNA (0.54) KMT2APIN1DHODHCYP1A2CYP3A4
SCHEMBL1972138 0.81 GAA (0.47) AKR1C2AKR1C1HCRTR1HCRTR2KMT2A
SCHEMBL1970307 0.81 MCL1 (0.50) KMOHCRTR1HCRTR2MEN1KMT2A
SCHEMBL1967935 0.79 MEN1 (0.50) KMOAKR1C2AKR1C1HCRTR1HCRTR2
SCHEMBL7423732 0.79 KDM4E (0.61) KMOAKR1C2AKR1C1PIN1POLB
SCHEMBL10358320 0.78 TDP1 (0.57) MEN1KMT2ACYP1A2
SCHEMBL16805993 0.78 MAPK14 (0.45) KMOMAPK14CYP1A2CYP3A4CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO claimed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 KMO 1349/4885AKR1C2 1223/4885AKR1C1 1120/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.